N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine

C13H19NO — CID 3144563

IUPACN-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCO2)cc1
InChIInChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyRYOHDRPJJLVPCE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3144563) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3144563
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(CNCC2CCCO2)cc1
InChIInChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyRYOHDRPJJLVPCE-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
D-threo-alpha-Benzyl-N-ethyltetrahydrofurfurylamine
CID 253826
Benzyl(2-methoxyethyl)amine
CID 2396989
Cambridge id 6878150
CID 2917394
N-(4-bromobenzyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 2958991
[(2E)-3-Phenyl-2-propen-1-yl](tetrahydro-2-furanylmethyl)amine hydrochloride
CID 6458174
(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 6458264
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
(4-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746853
N-(3-bromobenzyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 2960074
N-(4-Methyl-benzyl)-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 2891290
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 3144563) is N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine is Cc1ccc(CNCC2CCCO2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is RYOHDRPJJLVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3144563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).