N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine

C15H22ClNO — CID 65081836

IUPACN-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCOCC1
InChIInChI=1S/C15H22ClNO/c1-12(10-13-4-2-5-14(16)11-13)17-15-6-3-8-18-9-7-15/h2,4-5,11-12,15,17H,3,6-10H2,1H3
InChIKeyBTJJWNJDIYWKSR-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine

N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine (PubChem CID 65081836) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
PubChem CID65081836
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCOCC1
InChIInChI=1S/C15H22ClNO/c1-12(10-13-4-2-5-14(16)11-13)17-15-6-3-8-18-9-7-15/h2,4-5,11-12,15,17H,3,6-10H2,1H3
InChIKeyBTJJWNJDIYWKSR-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 82834455
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
CID 43694786
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713569

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine (CID 65081836) is N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine is CC(Cc1cccc(Cl)c1)NC1CCCOCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine?
The InChIKey is BTJJWNJDIYWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(10-13-4-2-5-14(16)11-13)17-15-6-3-8-18-9-7-15/h2,4-5,11-12,15,17H,3,6-10H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine?
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine is sourced from PubChem (CID 65081836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).