N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine

C16H25N — CID 84626740

IUPACN-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
SMILESCNCCC1CCC(C)(C)c2ccc(C)cc21
InChIInChI=1S/C16H25N/c1-12-5-6-15-14(11-12)13(8-10-17-4)7-9-16(15,2)3/h5-6,11,13,17H,7-10H2,1-4H3
InChIKeyFVZNHQZBOXZIRU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.76
Rot. Bonds3

About N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine

N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine (PubChem CID 84626740) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
PubChem CID84626740
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
SMILESCNCCC1CCC(C)(C)c2ccc(C)cc21
InChIInChI=1S/C16H25N/c1-12-5-6-15-14(11-12)13(8-10-17-4)7-9-16(15,2)3/h5-6,11,13,17H,7-10H2,1-4H3
InChIKeyFVZNHQZBOXZIRU-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
CID 84632926
2-(1,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84623134
(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 98564559
2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
CID 84637960
(7-ethyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
CID 84622697
N-methyl-2-(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine
CID 84627297
2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
CID 84644376
2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
CID 84634747
N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 143796011
2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylacetamide
CID 82082245
7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 84632092
2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84643191

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine (CID 84626740) is N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine is CNCCC1CCC(C)(C)c2ccc(C)cc21.
What is the InChIKey of N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
The InChIKey is FVZNHQZBOXZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-5-6-15-14(11-12)13(8-10-17-4)7-9-16(15,2)3/h5-6,11,13,17H,7-10H2,1-4H3.
What are the key properties of N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine is sourced from PubChem (CID 84626740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).