N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine

C14H22ClNO2 — CID 113468128

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
SMILESCOCCN(CCCl)CCCOc1ccccc1
InChIInChI=1S/C14H22ClNO2/c1-17-13-11-16(10-8-15)9-5-12-18-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyFWZNNMBXSIQWNB-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.64
Rot. Bonds10

About N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine

N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine (PubChem CID 113468128) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
PubChem CID113468128
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
SMILESCOCCN(CCCl)CCCOc1ccccc1
InChIInChI=1S/C14H22ClNO2/c1-17-13-11-16(10-8-15)9-5-12-18-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyFWZNNMBXSIQWNB-UHFFFAOYSA-N
XLogP2.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2-phenoxyethyl)butan-1-amine
CID 63388991
N-(2-chloroethyl)-3-phenoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107489214
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
(2R,3R,4R,5S)-6-[2-methoxyethyl(3-phenoxypropyl)amino]hexane-1,2,3,4,5-pentol
CID 126497842
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine (CID 113468128) is N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine is COCCN(CCCl)CCCOc1ccccc1.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine?
The InChIKey is FWZNNMBXSIQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-17-13-11-16(10-8-15)9-5-12-18-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine?
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 113468128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).