(3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine

C14H18ClNO — CID 125436618

IUPAC(3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine
SMILESClc1cccc(C2(N[C@H]3CCCOC3)CC2)c1
InChIInChI=1S/C14H18ClNO/c15-12-4-1-3-11(9-12)14(6-7-14)16-13-5-2-8-17-10-13/h1,3-4,9,13,16H,2,5-8,10H2/t13-/m0/s1
InChIKeySJLIRPGMYXRVLR-ZDUSSCGKSA-N
MW251.76 g/mol
LogP3.10
Rot. Bonds3

About (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine

(3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine (PubChem CID 125436618) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine
PubChem CID125436618
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine
SMILESClc1cccc(C2(N[C@H]3CCCOC3)CC2)c1
InChIInChI=1S/C14H18ClNO/c15-12-4-1-3-11(9-12)14(6-7-14)16-13-5-2-8-17-10-13/h1,3-4,9,13,16H,2,5-8,10H2/t13-/m0/s1
InChIKeySJLIRPGMYXRVLR-ZDUSSCGKSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]cyclopentanamine
CID 115901876
N-[1-(4-bromophenyl)cyclopropyl]oxolan-3-amine
CID 84596566
3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 138543840
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544
(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide
CID 125443348
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine
CID 66882983
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
N-(1-methylcyclobutyl)oxan-3-amine
CID 103936635
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine?
The IUPAC name of (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine (CID 125436618) is (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine.
What is the SMILES notation for (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine?
The canonical SMILES for (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine is Clc1cccc(C2(N[C@H]3CCCOC3)CC2)c1.
What is the InChIKey of (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine?
The InChIKey is SJLIRPGMYXRVLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-4-1-3-11(9-12)14(6-7-14)16-13-5-2-8-17-10-13/h1,3-4,9,13,16H,2,5-8,10H2/t13-/m0/s1.
What are the key properties of (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine?
(3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine has a molecular weight of 251.76 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-chlorophenyl)cyclopropyl]oxan-3-amine is sourced from PubChem (CID 125436618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).