N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C19H29NO — CID 43772970

IUPACN-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)Oc1ccc(NC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)21-19-11-9-17(10-12-19)20-18-8-7-15-5-3-4-6-16(15)13-18/h9-12,14-16,18,20H,3-8,13H2,1-2H3
InChIKeyQDORUPNHVXTQKU-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.24
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43772970) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43772970
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)Oc1ccc(NC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)21-19-11-9-17(10-12-19)20-18-8-7-15-5-3-4-6-16(15)13-18/h9-12,14-16,18,20H,3-8,13H2,1-2H3
InChIKeyQDORUPNHVXTQKU-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43769074
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758678
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43772970) is N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(C)Oc1ccc(NC2CCC3CCCCC3C2)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is QDORUPNHVXTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)21-19-11-9-17(10-12-19)20-18-8-7-15-5-3-4-6-16(15)13-18/h9-12,14-16,18,20H,3-8,13H2,1-2H3.
What are the key properties of N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43772970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).