2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine

C15H22ClNO — CID 79442884

IUPAC2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
SMILESCNCC(CC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-17-11-14(9-12-5-7-18-8-6-12)13-3-2-4-15(16)10-13/h2-4,10,12,14,17H,5-9,11H2,1H3
InChIKeyGUVJXGSXHUPNES-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.46
Rot. Bonds5

About 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine

2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine (PubChem CID 79442884) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
PubChem CID79442884
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
SMILESCNCC(CC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-17-11-14(9-12-5-7-18-8-6-12)13-3-2-4-15(16)10-13/h2-4,10,12,14,17H,5-9,11H2,1H3
InChIKeyGUVJXGSXHUPNES-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
2-(3-chlorophenyl)-3-(oxan-4-yl)propanoic acid
CID 79440566
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
CID 79422692
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
2-(3-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433944
4-[3-bromo-2-(3-methylphenyl)propyl]oxane
CID 79423563
1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
2-[(R)-(3-chlorophenyl)-[3-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]phenyl]methoxy]ethylcarbamic acid
CID 25183940
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine (CID 79442884) is 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine is CNCC(CC1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine?
The InChIKey is GUVJXGSXHUPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-17-11-14(9-12-5-7-18-8-6-12)13-3-2-4-15(16)10-13/h2-4,10,12,14,17H,5-9,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine?
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 79442884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).