N-[(3-chlorophenyl)methyl]heptan-4-amine

C14H22ClN — CID 63476473

IUPACN-[(3-chlorophenyl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-3-6-14(7-4-2)16-11-12-8-5-9-13(15)10-12/h5,8-10,14,16H,3-4,6-7,11H2,1-2H3
InChIKeyFJGGVNKSQSBKOB-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.40
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]heptan-4-amine

N-[(3-chlorophenyl)methyl]heptan-4-amine (PubChem CID 63476473) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]heptan-4-amine
PubChem CID63476473
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(3-chlorophenyl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-3-6-14(7-4-2)16-11-12-8-5-9-13(15)10-12/h5,8-10,14,16H,3-4,6-7,11H2,1-2H3
InChIKeyFJGGVNKSQSBKOB-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-3-amine
CID 4712076
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
N-[(3-chlorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900016
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
1-chloro-N-[(3-chlorophenyl)methyl]-4-methylpentan-3-amine
CID 106353845
1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]heptan-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]heptan-4-amine (CID 63476473) is N-[(3-chlorophenyl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]heptan-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]heptan-4-amine is CCCC(CCC)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]heptan-4-amine?
The InChIKey is FJGGVNKSQSBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-3-6-14(7-4-2)16-11-12-8-5-9-13(15)10-12/h5,8-10,14,16H,3-4,6-7,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]heptan-4-amine?
N-[(3-chlorophenyl)methyl]heptan-4-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-4-amine is sourced from PubChem (CID 63476473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).