N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C16H25NO — CID 102695797

IUPACN-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOC(C)CNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H25NO/c1-12(18-4)11-17-15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyKSTKHOAKUBKSEM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds4

About N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 102695797) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID102695797
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOC(C)CNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H25NO/c1-12(18-4)11-17-15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyKSTKHOAKUBKSEM-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147335
4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63455822
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
(2R)-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 114985663
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
CID 116642933
N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147440
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43147385
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 115615295
N-(2-methoxypropyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 102696007

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 102695797) is N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is COC(C)CNC1CCC(C)(C)c2ccccc21.
What is the InChIKey of N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is KSTKHOAKUBKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(18-4)11-17-15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 102695797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).