3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine

C14H21ClN2O — CID 82092700

IUPAC3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine
SMILESCC(c1ccc(Cl)cc1)C(CN)N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-11(12-2-4-13(15)5-3-12)14(10-16)17-6-8-18-9-7-17/h2-5,11,14H,6-10,16H2,1H3
InChIKeySFWDWBTUNOTXCZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine

3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine (PubChem CID 82092700) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine
PubChem CID82092700
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine
SMILESCC(c1ccc(Cl)cc1)C(CN)N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-11(12-2-4-13(15)5-3-12)14(10-16)17-6-8-18-9-7-17/h2-5,11,14H,6-10,16H2,1H3
InChIKeySFWDWBTUNOTXCZ-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine
CID 82086961
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
(2S)-2-acetamido-4-methylpentanoic acid;2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
CID 160657514
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 82090320
2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
CID 91757020
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine (CID 82092700) is 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine is CC(c1ccc(Cl)cc1)C(CN)N1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine?
The InChIKey is SFWDWBTUNOTXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(12-2-4-13(15)5-3-12)14(10-16)17-6-8-18-9-7-17/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine?
3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 82092700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).