N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine

C18H32N2 — CID 115463726

IUPACN,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
SMILESCC(C)NCCc1ccccc1CN(C)C(C)C(C)C
InChIInChI=1S/C18H32N2/c1-14(2)16(5)20(6)13-18-10-8-7-9-17(18)11-12-19-15(3)4/h7-10,14-16,19H,11-13H2,1-6H3
InChIKeyNVNNRUOJUPAYJX-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.70
Rot. Bonds8

About N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine

N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine (PubChem CID 115463726) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
PubChem CID115463726
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
SMILESCC(C)NCCc1ccccc1CN(C)C(C)C(C)C
InChIInChI=1S/C18H32N2/c1-14(2)16(5)20(6)13-18-10-8-7-9-17(18)11-12-19-15(3)4/h7-10,14-16,19H,11-13H2,1-6H3
InChIKeyNVNNRUOJUPAYJX-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463732
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115464039
N-[2-(2-phenylphenyl)ethyl]propan-2-amine
CID 144862405
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine (CID 115463726) is N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine is CC(C)NCCc1ccccc1CN(C)C(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine?
The InChIKey is NVNNRUOJUPAYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-14(2)16(5)20(6)13-18-10-8-7-9-17(18)11-12-19-15(3)4/h7-10,14-16,19H,11-13H2,1-6H3.
What are the key properties of N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine?
N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 115463726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).