1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine

C18H31FN2 — CID 62622855

IUPAC1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)Cc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C18H31FN2/c1-6-12-20-17(18(2,3)4)11-13-21(5)14-15-7-9-16(19)10-8-15/h7-10,17,20H,6,11-14H2,1-5H3
InChIKeyWOURCOHQNIYXLT-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.06
Rot. Bonds8

About 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine

1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine (PubChem CID 62622855) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
PubChem CID62622855
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)Cc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C18H31FN2/c1-6-12-20-17(18(2,3)4)11-13-21(5)14-15-7-9-16(19)10-8-15/h7-10,17,20H,6,11-14H2,1-5H3
InChIKeyWOURCOHQNIYXLT-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol
CID 64900549
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
1-(5-fluoro-2-nitrophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 60995850
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64707610

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine (CID 62622855) is 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine is CCCNC(CCN(C)Cc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The InChIKey is WOURCOHQNIYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-12-20-17(18(2,3)4)11-13-21(5)14-15-7-9-16(19)10-8-15/h7-10,17,20H,6,11-14H2,1-5H3.
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine is sourced from PubChem (CID 62622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).