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

C18H22ClNO — CID 4717039

IUPACN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-14(2)20-12-15-8-5-7-11-18(15)21-13-16-9-4-6-10-17(16)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyFMFXOPBWCHSSEJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.81
Rot. Bonds7

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

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine (PubChem CID 4717039) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
PubChem CID4717039
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-14(2)20-12-15-8-5-7-11-18(15)21-13-16-9-4-6-10-17(16)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyFMFXOPBWCHSSEJ-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

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717038
(2S)-N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726708
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine
CID 66534333
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 51988595
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211084

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine (CID 4717039) is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine is CCC(C)NCc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
The InChIKey is FMFXOPBWCHSSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-14(2)20-12-15-8-5-7-11-18(15)21-13-16-9-4-6-10-17(16)19/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine?
N-[[2-[(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-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 4717039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).