3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine

C14H20ClNO — CID 117387783

IUPAC3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
SMILESCC(CCN)c1cccc(Cl)c1OCC1CC1
InChIInChI=1S/C14H20ClNO/c1-10(7-8-16)12-3-2-4-13(15)14(12)17-9-11-5-6-11/h2-4,10-11H,5-9,16H2,1H3
InChIKeyKENQLRLJLYXUPL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds6

About 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine

3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine (PubChem CID 117387783) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
PubChem CID117387783
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
SMILESCC(CCN)c1cccc(Cl)c1OCC1CC1
InChIInChI=1S/C14H20ClNO/c1-10(7-8-16)12-3-2-4-13(15)14(12)17-9-11-5-6-11/h2-4,10-11H,5-9,16H2,1H3
InChIKeyKENQLRLJLYXUPL-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117418708
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
CID 86847227
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine?
The IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine (CID 117387783) is 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine?
The canonical SMILES for 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine is CC(CCN)c1cccc(Cl)c1OCC1CC1.
What is the InChIKey of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine?
The InChIKey is KENQLRLJLYXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(7-8-16)12-3-2-4-13(15)14(12)17-9-11-5-6-11/h2-4,10-11H,5-9,16H2,1H3.
What are the key properties of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine?
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 117387783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).