(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C18H21N — CID 43095172

IUPAC(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H21N/c1-13-6-8-15(9-7-13)18(19)17-11-10-14-4-2-3-5-16(14)12-17/h6-12,18H,2-5,19H2,1H3
InChIKeyXUDPAQDFFPZJCB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds2

About (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 43095172) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID43095172
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H21N/c1-13-6-8-15(9-7-13)18(19)17-11-10-14-4-2-3-5-16(14)12-17/h6-12,18H,2-5,19H2,1H3
InChIKeyXUDPAQDFFPZJCB-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 104851102
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
(methylideneamino)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 144541952
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 43095172) is (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is Cc1ccc(C(N)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is XUDPAQDFFPZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-6-8-15(9-7-13)18(19)17-11-10-14-4-2-3-5-16(14)12-17/h6-12,18H,2-5,19H2,1H3.
What are the key properties of (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 43095172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).