4-chloro-N-(3-phenoxypropyl)pentan-1-amine

C14H22ClNO — CID 106122013

IUPAC4-chloro-N-(3-phenoxypropyl)pentan-1-amine
SMILESCC(Cl)CCCNCCCOc1ccccc1
InChIInChI=1S/C14H22ClNO/c1-13(15)7-5-10-16-11-6-12-17-14-8-3-2-4-9-14/h2-4,8-9,13,16H,5-7,10-12H2,1H3
InChIKeyGOBSOGLSQMCLSY-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.45
Rot. Bonds9

About 4-chloro-N-(3-phenoxypropyl)pentan-1-amine

4-chloro-N-(3-phenoxypropyl)pentan-1-amine (PubChem CID 106122013) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-chloro-N-(3-phenoxypropyl)pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(3-phenoxypropyl)pentan-1-amine
PubChem CID106122013
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-chloro-N-(3-phenoxypropyl)pentan-1-amine
SMILESCC(Cl)CCCNCCCOc1ccccc1
InChIInChI=1S/C14H22ClNO/c1-13(15)7-5-10-16-11-6-12-17-14-8-3-2-4-9-14/h2-4,8-9,13,16H,5-7,10-12H2,1H3
InChIKeyGOBSOGLSQMCLSY-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
3,3-diethoxy-N-(3-phenoxypropyl)propan-1-amine
CID 81094197
4-(3-phenoxypropylamino)butanenitrile
CID 60696999
5-(3-phenoxypropylamino)pentanenitrile
CID 60697093
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-[2-(2-chloroethoxy)ethyl]-3-phenoxypropan-1-amine
CID 65023904
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-phenoxypropyl)pentan-1-amine?
The IUPAC name of 4-chloro-N-(3-phenoxypropyl)pentan-1-amine (CID 106122013) is 4-chloro-N-(3-phenoxypropyl)pentan-1-amine.
What is the SMILES notation for 4-chloro-N-(3-phenoxypropyl)pentan-1-amine?
The canonical SMILES for 4-chloro-N-(3-phenoxypropyl)pentan-1-amine is CC(Cl)CCCNCCCOc1ccccc1.
What is the InChIKey of 4-chloro-N-(3-phenoxypropyl)pentan-1-amine?
The InChIKey is GOBSOGLSQMCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-13(15)7-5-10-16-11-6-12-17-14-8-3-2-4-9-14/h2-4,8-9,13,16H,5-7,10-12H2,1H3.
What are the key properties of 4-chloro-N-(3-phenoxypropyl)pentan-1-amine?
4-chloro-N-(3-phenoxypropyl)pentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-phenoxypropyl)pentan-1-amine is sourced from PubChem (CID 106122013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).