3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine

C17H20ClNO — CID 82097635

IUPAC3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
SMILESClc1ccc(OCCCNCCc2ccccc2)cc1
InChIInChI=1S/C17H20ClNO/c18-16-7-9-17(10-8-16)20-14-4-12-19-13-11-15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-14H2
InChIKeyNXZYQEFYVVTHAX-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.94
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine

3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine (PubChem CID 82097635) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
PubChem CID82097635
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
SMILESClc1ccc(OCCCNCCc2ccccc2)cc1
InChIInChI=1S/C17H20ClNO/c18-16-7-9-17(10-8-16)20-14-4-12-19-13-11-15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-14H2
InChIKeyNXZYQEFYVVTHAX-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.94
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

4-(4-chlorophenoxy)-N-(2-phenylethyl)butan-1-amine;oxalic acid
CID 2935831
N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid
CID 2936042
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 62936442
3-[3-[4-[3-(4-chlorophenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121328
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
CID 121299623
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine (CID 82097635) is 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine is Clc1ccc(OCCCNCCc2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine?
The InChIKey is NXZYQEFYVVTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-16-7-9-17(10-8-16)20-14-4-12-19-13-11-15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-14H2.
What are the key properties of 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine?
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 82097635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).