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

C17H30N2 — CID 62421643

IUPACN-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
SMILESCCC(C)N(CC)Cc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H30N2/c1-6-15(5)19(7-2)13-17-10-8-9-16(11-17)12-18-14(3)4/h8-11,14-15,18H,6-7,12-13H2,1-5H3
InChIKeyKQCCRIIMBYRKEG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds8

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

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine (PubChem CID 62421643) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
PubChem CID62421643
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
SMILESCCC(C)N(CC)Cc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H30N2/c1-6-15(5)19(7-2)13-17-10-8-9-16(11-17)12-18-14(3)4/h8-11,14-15,18H,6-7,12-13H2,1-5H3
InChIKeyKQCCRIIMBYRKEG-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
CID 63492555
N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 115987823
3-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
CID 43274509
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62463675
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
N-[[3-[[ethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]methyl]propan-2-amine
CID 62018907
N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 62456237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine (CID 62421643) is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine is CCC(C)N(CC)Cc1cccc(CNC(C)C)c1.
What is the InChIKey of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The InChIKey is KQCCRIIMBYRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-15(5)19(7-2)13-17-10-8-9-16(11-17)12-18-14(3)4/h8-11,14-15,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 62421643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).