1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol

C15H24N2O2 — CID 112513617

IUPAC1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
SMILESCOc1ccc(C(O)CCNC2CCCC2)cc1N
InChIInChI=1S/C15H24N2O2/c1-19-15-7-6-11(10-13(15)16)14(18)8-9-17-12-4-2-3-5-12/h6-7,10,12,14,17-18H,2-5,8-9,16H2,1H3
InChIKeyTXXGSJCGOVXNPY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.23
Rot. Bonds6

About 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol

1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol (PubChem CID 112513617) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
PubChem CID112513617
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
SMILESCOc1ccc(C(O)CCNC2CCCC2)cc1N
InChIInChI=1S/C15H24N2O2/c1-19-15-7-6-11(10-13(15)16)14(18)8-9-17-12-4-2-3-5-12/h6-7,10,12,14,17-18H,2-5,8-9,16H2,1H3
InChIKeyTXXGSJCGOVXNPY-UHFFFAOYSA-N
XLogP2.23
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-(ethylamino)propan-1-ol
CID 112513189
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
CID 82071253
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
CID 82258397
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol (CID 112513617) is 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol is COc1ccc(C(O)CCNC2CCCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol?
The InChIKey is TXXGSJCGOVXNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-15-7-6-11(10-13(15)16)14(18)8-9-17-12-4-2-3-5-12/h6-7,10,12,14,17-18H,2-5,8-9,16H2,1H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol?
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol is sourced from PubChem (CID 112513617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).