(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride

C18H30ClNO3 — CID 70674125

IUPAC(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
SMILESCCc1ccc(OCCOC[C@H](O)CNC2CCCC2)cc1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-2-15-7-9-18(10-8-15)22-12-11-21-14-17(20)13-19-16-5-3-4-6-16;/h7-10,16-17,19-20H,2-6,11-14H2,1H3;1H/t17-;/m1./s1
InChIKeyHIKNJIRRHQMSNJ-UNTBIKODSA-N
MW343.90 g/mol
LogP2.96
Rot. Bonds10

About (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride

(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride (PubChem CID 70674125) has the molecular formula C18H30ClNO3 and a molecular weight of 343.90 g/mol. Its IUPAC name is (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
PubChem CID70674125
Molecular FormulaC18H30ClNO3
Molecular Weight343.90 g/mol
Exact Mass343.19
IUPAC Name(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
SMILESCCc1ccc(OCCOC[C@H](O)CNC2CCCC2)cc1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-2-15-7-9-18(10-8-15)22-12-11-21-14-17(20)13-19-16-5-3-4-6-16;/h7-10,16-17,19-20H,2-6,11-14H2,1H3;1H/t17-;/m1./s1
InChIKeyHIKNJIRRHQMSNJ-UNTBIKODSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-[2-(4-bromophenoxy)ethoxy]-3-(cyclohexylamino)propan-2-ol
CID 11835432
1-[2-(4-ethylphenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 4106588
1-(tert-butylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 12005829
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-[2-(4-bromophenoxy)ethoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 122714573
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-ethylphenoxy)propan-2-ol
CID 60633976
(2R)-1-[2-(4-ethylphenoxy)ethoxy]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-2-ol
CID 7165333

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride?
The IUPAC name of (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride (CID 70674125) is (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride?
The canonical SMILES for (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride is CCc1ccc(OCCOC[C@H](O)CNC2CCCC2)cc1.Cl.
What is the InChIKey of (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride?
The InChIKey is HIKNJIRRHQMSNJ-UNTBIKODSA-N. The full InChI is InChI=1S/C18H29NO3.ClH/c1-2-15-7-9-18(10-8-15)22-12-11-21-14-17(20)13-19-16-5-3-4-6-16;/h7-10,16-17,19-20H,2-6,11-14H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride?
(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 70674125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).