2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine

C14H22ClNO2 — CID 103412633

IUPAC2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCOCCOCCCC(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-17-8-9-18-7-3-5-13(11-16)12-4-2-6-14(15)10-12/h2,4,6,10,13H,3,5,7-9,11,16H2,1H3
InChIKeyQZNRSNNXBQDQGP-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.83
Rot. Bonds9

About 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine

2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (PubChem CID 103412633) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
PubChem CID103412633
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
SMILESCOCCOCCCC(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-17-8-9-18-7-3-5-13(11-16)12-4-2-6-14(15)10-12/h2,4,6,10,13H,3,5,7-9,11,16H2,1H3
InChIKeyQZNRSNNXBQDQGP-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412655
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
1-(1-bromo-5-ethoxypentan-2-yl)-3-chlorobenzene
CID 79430327
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
1-amino-2-(3-chlorophenyl)-5-methoxypentan-3-ol
CID 65186234
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine (CID 103412633) is 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is COCCOCCCC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
The InChIKey is QZNRSNNXBQDQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-17-8-9-18-7-3-5-13(11-16)12-4-2-6-14(15)10-12/h2,4,6,10,13H,3,5,7-9,11,16H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine?
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine is sourced from PubChem (CID 103412633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).