N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine

C18H23ClN2 — CID 105140466

IUPACN-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ccncc1Cl
InChIInChI=1S/C18H23ClN2/c1-5-21-17(15-10-11-20-12-16(15)19)13-6-8-14(9-7-13)18(2,3)4/h6-12,17,21H,5H2,1-4H3
InChIKeySDBQCFAXLJKBNZ-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.73
Rot. Bonds4

About N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine

N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine (PubChem CID 105140466) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
PubChem CID105140466
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ccncc1Cl
InChIInChI=1S/C18H23ClN2/c1-5-21-17(15-10-11-20-12-16(15)19)13-6-8-14(9-7-13)18(2,3)4/h6-12,17,21H,5H2,1-4H3
InChIKeySDBQCFAXLJKBNZ-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184574
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105296557
N-[(3-chloro-4-pyridinyl)-isoquinolin-4-ylmethyl]ethanamine
CID 105147392
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine (CID 105140466) is N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C(C)(C)C)cc1)c1ccncc1Cl.
What is the InChIKey of N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine?
The InChIKey is SDBQCFAXLJKBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-5-21-17(15-10-11-20-12-16(15)19)13-6-8-14(9-7-13)18(2,3)4/h6-12,17,21H,5H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine?
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine has a molecular weight of 302.85 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105140466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).