N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine

C12H18ClNO2 — CID 60684435

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-15-8-3-6-14-7-9-16-12-5-2-4-11(13)10-12/h2,4-5,10,14H,3,6-9H2,1H3
InChIKeyGOJSYUGZHCIUPM-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine

N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine (PubChem CID 60684435) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
PubChem CID60684435
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-15-8-3-6-14-7-9-16-12-5-2-4-11(13)10-12/h2,4-5,10,14H,3,6-9H2,1H3
InChIKeyGOJSYUGZHCIUPM-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.34
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

N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2280964

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine (CID 60684435) is N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine is COCCCNCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine?
The InChIKey is GOJSYUGZHCIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-15-8-3-6-14-7-9-16-12-5-2-4-11(13)10-12/h2,4-5,10,14H,3,6-9H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine?
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine has a molecular weight of 243.73 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 60684435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).