2-(3-chlorophenyl)-4-methoxybutan-1-amine

C11H16ClNO — CID 79443641

IUPAC2-(3-chlorophenyl)-4-methoxybutan-1-amine
SMILESCOCCC(CN)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-14-6-5-10(8-13)9-3-2-4-11(12)7-9/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyURLDIDSHWBQDOB-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds5

About 2-(3-chlorophenyl)-4-methoxybutan-1-amine

2-(3-chlorophenyl)-4-methoxybutan-1-amine (PubChem CID 79443641) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methoxybutan-1-amine
PubChem CID79443641
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(3-chlorophenyl)-4-methoxybutan-1-amine
SMILESCOCCC(CN)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-14-6-5-10(8-13)9-3-2-4-11(12)7-9/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyURLDIDSHWBQDOB-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633
1-amino-2-(3-chlorophenyl)-5-methoxypentan-3-ol
CID 65186234
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
1-(1-bromo-5-methoxy-3-methylpentan-2-yl)-3-chlorobenzene
CID 116500349
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methoxybutan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-methoxybutan-1-amine (CID 79443641) is 2-(3-chlorophenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-methoxybutan-1-amine is COCCC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methoxybutan-1-amine?
The InChIKey is URLDIDSHWBQDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-14-6-5-10(8-13)9-3-2-4-11(12)7-9/h2-4,7,10H,5-6,8,13H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-methoxybutan-1-amine?
2-(3-chlorophenyl)-4-methoxybutan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 79443641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).