N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C14H21NO — CID 43191940

IUPACN-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCC(C)NC1CCCc2ccccc21
InChIInChI=1S/C14H21NO/c1-11(10-16-2)15-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14-15H,5,7,9-10H2,1-2H3
InChIKeyPVXXVYIUCUHPDH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43191940) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43191940
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCC(C)NC1CCCc2ccccc21
InChIInChI=1S/C14H21NO/c1-11(10-16-2)15-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14-15H,5,7,9-10H2,1-2H3
InChIKeyPVXXVYIUCUHPDH-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
1-(1-methoxypropan-2-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 46800324
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 1378447
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43191940) is N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is COCC(C)NC1CCCc2ccccc21.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PVXXVYIUCUHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(10-16-2)15-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14-15H,5,7,9-10H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43191940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).