3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline

C18H21NO — CID 123793833

IUPAC3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline
SMILESCc1cccc(NCC2CCc3ccc(C)cc3O2)c1
InChIInChI=1S/C18H21NO/c1-13-4-3-5-16(10-13)19-12-17-9-8-15-7-6-14(2)11-18(15)20-17/h3-7,10-11,17,19H,8-9,12H2,1-2H3
InChIKeyRIWGJPGAOYYRFP-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.11
Rot. Bonds3

About 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline

3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline (PubChem CID 123793833) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline
PubChem CID123793833
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline
SMILESCc1cccc(NCC2CCc3ccc(C)cc3O2)c1
InChIInChI=1S/C18H21NO/c1-13-4-3-5-16(10-13)19-12-17-9-8-15-7-6-14(2)11-18(15)20-17/h3-7,10-11,17,19H,8-9,12H2,1-2H3
InChIKeyRIWGJPGAOYYRFP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
2-[(4-bromophenyl)methoxymethyl]-7-methyl-3,4-dihydro-2H-chromene
CID 58999622
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 44516249
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
3,4-dichloro-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66362870
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
1-[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
CID 160998692
[7-(methanesulfonamido)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
CID 10573685
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-ethoxyaniline
CID 66392605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline (CID 123793833) is 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline is Cc1cccc(NCC2CCc3ccc(C)cc3O2)c1.
What is the InChIKey of 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline?
The InChIKey is RIWGJPGAOYYRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-4-3-5-16(10-13)19-12-17-9-8-15-7-6-14(2)11-18(15)20-17/h3-7,10-11,17,19H,8-9,12H2,1-2H3.
What are the key properties of 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline?
3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline is sourced from PubChem (CID 123793833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).