1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine

C23H27N — CID 19893363

IUPAC1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
SMILESCCC(C)c1ccc(CN(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H27N/c1-4-18(2)20-14-12-19(13-15-20)16-24(3)17-22-10-7-9-21-8-5-6-11-23(21)22/h5-15,18H,4,16-17H2,1-3H3
InChIKeyOXDLDGFEKNWZFZ-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.99
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine

1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 19893363) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID19893363
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
SMILESCCC(C)c1ccc(CN(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H27N/c1-4-18(2)20-14-12-19(13-15-20)16-24(3)17-22-10-7-9-21-8-5-6-11-23(21)22/h5-15,18H,4,16-17H2,1-3H3
InChIKeyOXDLDGFEKNWZFZ-UHFFFAOYSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-1-(naphthalen-1-ylmethyl)pyridin-1-ium
CID 155629331
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 115256771
6-[(4-butan-2-ylphenyl)methyl-methylamino]hexane-1,2,3,4,5-pentol
CID 54144171
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
1-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)propan-2-amine
CID 2845235
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
9-(4-butan-2-ylphenyl)anthracene
CID 22974701
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine (CID 19893363) is 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine is CCC(C)c1ccc(CN(C)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is OXDLDGFEKNWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-4-18(2)20-14-12-19(13-15-20)16-24(3)17-22-10-7-9-21-8-5-6-11-23(21)22/h5-15,18H,4,16-17H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine?
1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 317.48 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 19893363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).