[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine

C18H22N2O — CID 39226421

IUPAC[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N2O/c19-13-15-4-6-17(7-5-15)18-3-1-2-16(12-18)14-20-8-10-21-11-9-20/h1-7,12H,8-11,13-14,19H2
InChIKeyLQOQEGCCIFUKEH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.64
Rot. Bonds4

About [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine

[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine (PubChem CID 39226421) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
PubChem CID39226421
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N2O/c19-13-15-4-6-17(7-5-15)18-3-1-2-16(12-18)14-20-8-10-21-11-9-20/h1-7,12H,8-11,13-14,19H2
InChIKeyLQOQEGCCIFUKEH-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134
2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 82135838
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
CID 56857435
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304

Frequently Asked Questions

What is the IUPAC name of [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine?
The IUPAC name of [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine (CID 39226421) is [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine is NCc1ccc(-c2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine?
The InChIKey is LQOQEGCCIFUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-13-15-4-6-17(7-5-15)18-3-1-2-16(12-18)14-20-8-10-21-11-9-20/h1-7,12H,8-11,13-14,19H2.
What are the key properties of [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine?
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 39226421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).