3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride

C18H24ClNO — CID 67578950

IUPAC3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
SMILESCC(C)NCCCOc1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16;/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3;1H
InChIKeyCGZCWFCOMIQMKX-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.54
Rot. Bonds7

About 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride

3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride (PubChem CID 67578950) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
PubChem CID67578950
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
SMILESCC(C)NCCCOc1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16;/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3;1H
InChIKeyCGZCWFCOMIQMKX-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride (CID 67578950) is 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride is CC(C)NCCCOc1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride?
The InChIKey is CGZCWFCOMIQMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16;/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3;1H.
What are the key properties of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride?
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 67578950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).