N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine

C18H22ClNO — CID 4717043

IUPACN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-14(2)20-12-15-8-10-17(11-9-15)21-13-16-6-4-5-7-18(16)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyDWHRYRVKZNPFQV-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.81
Rot. Bonds7

About N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine (PubChem CID 4717043) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
PubChem CID4717043
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-14(2)20-12-15-8-10-17(11-9-15)21-13-16-6-4-5-7-18(16)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyDWHRYRVKZNPFQV-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 63500455
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291377
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine (CID 4717043) is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine is CCC(C)NCc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The InChIKey is DWHRYRVKZNPFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-14(2)20-12-15-8-10-17(11-9-15)21-13-16-6-4-5-7-18(16)19/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 4717043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).