N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine

C19H25N — CID 43489132

IUPACN-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N/c1-5-20-18(15-9-7-6-8-10-15)16-11-13-17(14-12-16)19(2,3)4/h6-14,18,20H,5H2,1-4H3
InChIKeyQCRLEBSYJPZVFX-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.68
Rot. Bonds4

About N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine

N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine (PubChem CID 43489132) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
PubChem CID43489132
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N/c1-5-20-18(15-9-7-6-8-10-15)16-11-13-17(14-12-16)19(2,3)4/h6-14,18,20H,5H2,1-4H3
InChIKeyQCRLEBSYJPZVFX-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydrylethanamine;ethane
CID 142974710
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62548712
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
N-[(4-tert-butylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43493260

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine (CID 43489132) is N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine?
The InChIKey is QCRLEBSYJPZVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-20-18(15-9-7-6-8-10-15)16-11-13-17(14-12-16)19(2,3)4/h6-14,18,20H,5H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine?
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).