N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine

C14H22ClNO — CID 62565595

IUPACN-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)OCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-11(2)16-9-12(3)17-10-13-7-5-6-8-14(13)15/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyLSXHMCIZNKQBJL-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.63
Rot. Bonds7

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

N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine (PubChem CID 62565595) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
PubChem CID62565595
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)OCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-11(2)16-9-12(3)17-10-13-7-5-6-8-14(13)15/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyLSXHMCIZNKQBJL-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine
CID 66534333
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine?
The IUPAC name of N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine (CID 62565595) is N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine is CCC(C)NCC(C)OCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine?
The InChIKey is LSXHMCIZNKQBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-11(2)16-9-12(3)17-10-13-7-5-6-8-14(13)15/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine?
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.63, 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]propyl]butan-2-amine is sourced from PubChem (CID 62565595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).