1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine

C27H23N3 — CID 86023570

IUPAC1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C27H23N3/c1-2-8-21(9-3-1)18-30(19-24-16-14-22-10-4-6-12-26(22)28-24)20-25-17-15-23-11-5-7-13-27(23)29-25/h1-17H,18-20H2
InChIKeyDFTKOWPVDAPYQP-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.99
Rot. Bonds6

About 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine

1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine (PubChem CID 86023570) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
PubChem CID86023570
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC Name1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C27H23N3/c1-2-8-21(9-3-1)18-30(19-24-16-14-22-10-4-6-12-26(22)28-24)20-25-17-15-23-11-5-7-13-27(23)29-25/h1-17H,18-20H2
InChIKeyDFTKOWPVDAPYQP-UHFFFAOYSA-N
XLogP5.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
CID 67454262
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 102375757
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
N-(2-bromoethyl)-2,2,2-trifluoro-N-(quinolin-2-ylmethyl)ethanamine
CID 107488634
2-[prop-2-enyl(quinolin-2-ylmethyl)amino]acetic acid
CID 79277558
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
CID 89210421
CID 89210421

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine (CID 86023570) is 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine?
The InChIKey is DFTKOWPVDAPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-2-8-21(9-3-1)18-30(19-24-16-14-22-10-4-6-12-26(22)28-24)20-25-17-15-23-11-5-7-13-27(23)29-25/h1-17H,18-20H2.
What are the key properties of 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine?
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine has a molecular weight of 389.50 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine is sourced from PubChem (CID 86023570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).