N-[(3-chlorophenyl)methyl]heptan-3-amine

C14H22ClN — CID 4712076

IUPACN-[(3-chlorophenyl)methyl]heptan-3-amine
SMILESCCCCC(CC)NCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-3-5-9-14(4-2)16-11-12-7-6-8-13(15)10-12/h6-8,10,14,16H,3-5,9,11H2,1-2H3
InChIKeyJTEIFIWEXIQRGW-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.40
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]heptan-3-amine

N-[(3-chlorophenyl)methyl]heptan-3-amine (PubChem CID 4712076) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]heptan-3-amine
PubChem CID4712076
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(3-chlorophenyl)methyl]heptan-3-amine
SMILESCCCCC(CC)NCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-3-5-9-14(4-2)16-11-12-7-6-8-13(15)10-12/h6-8,10,14,16H,3-5,9,11H2,1-2H3
InChIKeyJTEIFIWEXIQRGW-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
N-[(3-chlorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900016
3-[(octan-3-ylamino)methyl]phenol
CID 82364591
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]heptan-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]heptan-3-amine (CID 4712076) is N-[(3-chlorophenyl)methyl]heptan-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]heptan-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]heptan-3-amine is CCCCC(CC)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]heptan-3-amine?
The InChIKey is JTEIFIWEXIQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-3-5-9-14(4-2)16-11-12-7-6-8-13(15)10-12/h6-8,10,14,16H,3-5,9,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]heptan-3-amine?
N-[(3-chlorophenyl)methyl]heptan-3-amine has a molecular weight of 239.79 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]heptan-3-amine is sourced from PubChem (CID 4712076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).